BIMU 8 - ≥98%(HPLC) , CAS No.134296-40-5

CAS: 134296-40-5 Cat. No.: B287151 分子式: C₁₉H₂₆N₄O₂•HCl 分子量: 378.9

GRADE & PURITY ≥98%(HPLC)

Synonyms

BIMU8 | BIMU-8 | 1H-Benzimidazole-1-carboxamide, 2,3-dihydro-N-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)-3-(1-methylethyl)-2-oxo-, monohydrochloride, endo- | (endo-N-8-Methyl-8-azabicyclo-(3.2.1)oct-3-yl)-2,3-dihydro-3-isopropyl-2-oxo-1H-benzimidazol-1-carbo

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

BIMU8 | BIMU-8 | 1H-Benzimidazole-1-carboxamide, 2,3-dihydro-N-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)-3-(1-methylethyl)-2-oxo-, monohydrochloride, endo- | (endo-N-8-Methyl-8-azabicyclo-(3.2.1)oct-3-yl)-2,3-dihydro-3-isopropyl-2-oxo-1H-benzimidazol-1-carbo

仕様と純度

≥98%(HPLC)

生化学的・生理学的メカニズム

Potent 5-HT4receptor full agonist (KD= 77 nM and EC50= 18 nM for wild type 5-HT4receptors). Binds to receptors in a mechanism different to that of the endogenous ligand 5-HT.

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

AGONIST

純度

≥98%(HPLC)

名前と識別子

• カノニカル・スマイル: CC(C)N1C2=CC=CC=C2N(C1=O)C(=O)NC3CC4CCC(C3)N4C.Cl
• IUPAC Name: N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide;hydrochloride
• InChIKey: NQYXXIUVFVOJCX-XZPOUAKSSA-N
• INCHI: 1S/C19H26N4O2.ClH/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3;/h4-7,12-15H,8-11H2,1-3H3,(H,20,24);1H/t13?,14-,15+
• 異性体SMILES: CC(C)N1C2=CC=CC=C2N(C1=O)C(=O)NC3C[C@H]4CC[C@@H](C3)N4C.Cl
• 分子量: 378.9
• Reaxy-Rn: 25080312
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25080312&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • 分類 Tropane alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• 分類: Tropane alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tropane alkaloids
• Alternative Parents: Benzimidazoles Carbonylimidazoles Piperidines N-substituted imidazoles N-alkylpyrrolidines Benzenoids Heteroaromatic compounds Ureas Trialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Tropane alkaloid - Imidazole-1-carbonyl group - N-substituted imidazole - Piperidine - Benzenoid - N-alkylpyrrolidine - Azole - Imidazole - Heteroaromatic compound - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Urea - Organoheterocyclic compound - Azacycle - Hydrochloride - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 溶解度: Solvent:water, Max Conc. mg/mL: 28.42, Max Conc. mM: 75; Solvent:DMSO, Max Conc. mg/mL: 37.89, Max Conc. mM: 100
• 分子量: 378.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 378.182 Da
• Monoisotopic Mass: 378.182 Da
• Topological Polar Surface Area: 55.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 538.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3